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CHEBI:181695 - 2-[(1S,5S)-5-methyl-4-(3-oxobutyl)cyclohept-3-en-1-yl]prop-2-enoic acid

ChEBI IDCHEBI:181695
ChEBI Name2-[(1S,5S)-5-methyl-4-(3-oxobutyl)cyclohept-3-en-1-yl]prop-2-enoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESC=C(C(=O)O)[C@@H]1CC=C(CCC(C)=O)[C@@H](C)CC1
InChIInChI=1S/C15H22O3/c1-10-4-6-14(12(3)15(17)18)9-8-13(10)7-5-11(2)16/h8,10,14H,3-7,9H2,1-2H3,(H,17,18)/t10-,14-/m0/s1
InChIKeyNIQIMYXBAQAIAT-HZMBPMFUSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1S,5S)-5-methyl-4-(3-oxobutyl)cyclohept-3-en-1-yl]prop-2-enoic acid (CHEBI:181695) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-[(1S,5S)-5-methyl-4-(3-oxobutyl)cyclohept-3-en-1-yl]prop-2-enoic acid